SCHEMBL21286980

SCHEMBL21286980

CCCCc1ccc(I)cc1I

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.50
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTRC Q99895 1/20 0.38
SLC6A3 Q01959 2/20 0.36
TLR8 Q9NR97 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
SLC6A4 P31645 1/20 0.35
LIPG Q9Y5X9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5684607 0.92 TYR (0.53) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL25922202 0.85 TYR (0.47) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL21286978 0.83 TYR (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL19157118 0.82 TYR (0.44) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL18241917 0.81 SLC6A4 (0.33) TYRSLC6A4
SCHEMBL18378173 0.79 SLC6A4 (0.32) SLC6A4
SCHEMBL18243969 0.79 SLC6A4 (0.32) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13019662 0.78 TTR (0.36) CTRCSLC6A3SLC6A4
SCHEMBL28166338 0.78 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL15586578 0.76 TYR (0.52) TYRMEN1TP53CYP3A4ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190258160-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-22 US disclosed